CID 135609952

6-methoxy-7-hydroxyquinazolin-4-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=C(C=C2C(=C1)C(=O)NC=N2)O
InChI
InChI=1S/C9H8N2O3/c1-14-8-2-5-6(3-7(8)12)10-4-11-9(5)13/h2-4,12H,1H3,(H,10,11,13)
InChIKey
ZHLRYPLSYOYNQM-UHFFFAOYSA-N
Compound name
7-hydroxy-6-methoxy-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

192.0535 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.2
[M+Na]+ 215.04272 148.2
[M-H]- 191.04622 137.4
[M+NH4]+ 210.08732 154.3
[M+K]+ 231.01666 144.3
[M+H-H2O]+ 175.05076 130.4
[M+HCOO]- 237.05170 156.8
[M+CH3COO]- 251.06735 178.1
[M+Na-2H]- 213.02817 145.6
[M]+ 192.05295 138.0
[M]- 192.05405 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe